carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron

C14H18FeO5 — CID 11001789

IUPACcarbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron
SMILESC=C/C=C\CCCCC(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C11H18O2.3CO.Fe/c1-3-5-6-7-8-9-10-11(12)13-4-2;3*1-2;/h3,5-6H,1,4,7-10H2,2H3;;;;/b6-5-;;;;
InChIKeyDWGIVWXQPSWZLO-YGGCHVFLSA-N
MW322.14 g/mol
LogP2.74
Rot. Bonds7

About carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron

carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron (PubChem CID 11001789) has the molecular formula C14H18FeO5 and a molecular weight of 322.14 g/mol. Its IUPAC name is carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron.

Molecular Properties

Compound Namecarbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron
PubChem CID11001789
Molecular FormulaC14H18FeO5
Molecular Weight322.14 g/mol
Exact Mass322.05
IUPAC Namecarbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron
SMILESC=C/C=C\CCCCC(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C11H18O2.3CO.Fe/c1-3-5-6-7-8-9-10-11(12)13-4-2;3*1-2;/h3,5-6H,1,4,7-10H2,2H3;;;;/b6-5-;;;;
InChIKeyDWGIVWXQPSWZLO-YGGCHVFLSA-N
XLogP2.74
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (6Z)-nona-6,8-dienoate
CID 11001790
ethyl octadeca-9,11-dienoate
CID 71333061
ethyl hept-6-enoate
CID 560341
ethyl 8,8,8-trifluorooct-6-enoate
CID 162537305
ethyl (8E,10E)-dodeca-6,8,10-trienoate
CID 135026135
ethyl (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate
CID 171042765
ethyl hexa-3,5-dienoate
CID 54153384
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl (5Z,7E)-dodeca-5,7-dienoate
CID 14633807
ethyl octadec-8-enoate
CID 71350628

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron?
The IUPAC name of carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron (CID 11001789) is carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron.
What is the SMILES notation for carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron?
The canonical SMILES for carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron is C=C/C=C\CCCCC(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron?
The InChIKey is DWGIVWXQPSWZLO-YGGCHVFLSA-N. The full InChI is InChI=1S/C11H18O2.3CO.Fe/c1-3-5-6-7-8-9-10-11(12)13-4-2;3*1-2;/h3,5-6H,1,4,7-10H2,2H3;;;;/b6-5-;;;;.
What are the key properties of carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron?
carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron has a molecular weight of 322.14 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ethyl (6Z)-nona-6,8-dienoate;iron is sourced from PubChem (CID 11001789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).